UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 4-[[(1S)-6-azaspiro[2.5]octan-1-yl]methyl]thiomorpholine 4-[[(1S)-6-azaspiro[2.5]octan-1-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.25 7.26 -93.24 3 2 2 21 228.405 2 ↓
Mid Mid (pH 6-8) 1.25 5.17 -40.34 2 2 1 20 227.397 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[[(1R)-6-azaspiro[2.5]octan-1-yl]methyl]thiomorpholine 4-[[(1R)-6-azaspiro[2.5]octan-1-…

Find On: PubMed — Wikipedia — Google

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.25 7.25 -93.32 3 2 2 21 228.405 2 ↓
Mid Mid (pH 6-8) 1.25 5.17 -40.43 2 2 1 20 227.397 2 ↓

Analogs

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Popular Name: (3R)-4-[[(2R)-6-azaspiro[2.5]octan-2-yl]methyl]-3-methyl-thiomorpholine (3R)-4-[[(2R)-6-azaspiro[2.5]oct…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.58 7.72 -91.33 3 2 2 21 242.432 2 ↓
Mid Mid (pH 6-8) 1.58 5.68 -40.54 2 2 1 20 241.424 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-4-[[(2R)-6-azaspiro[2.5]octan-2-yl]methyl]-3-methyl-thiomorpholine (3S)-4-[[(2R)-6-azaspiro[2.5]oct…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.58 7.64 -96.58 3 2 2 21 242.432 2 ↓
Mid Mid (pH 6-8) 1.58 5.58 -41.42 2 2 1 20 241.424 2 ↓

Parameters Provided:

ring.id = 459439
filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

SQL Query Was

SELECT DISTINCT(ci.sub_id_fk) AS sub_id FROM catalog_item AS ci INNER JOIN catalog AS c ON ci.cat_id_fk=c.cat_id INNER JOIN hasring AS hr ON ci.sub_id_fk=hr.sub_id_fk INNER JOIN rings AS r ON hr.rings_fk=r.rings_id  WHERE r.rings_id = 459439 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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